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Tricyclo[3.3.1.1(3,7)]decane-1-carboxylic acid, 3-(4-hydroxyphenyl)-
SpectraBase Compound ID 49Y9ofSGtfX
InChI InChI=1S/C17H20O3/c18-14-3-1-13(2-4-14)16-6-11-5-12(7-16)9-17(8-11,10-16)15(19)20/h1-4,11-12,18H,5-10H2,(H,19,20)/t11-,12+,16+,17-
InChIKey VOIFCTZBZXPLPQ-PRRDBKRISA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3iX9juD5dAw
Name Tricyclo[3.3.1.1(3,7)]decane-1-carboxylic acid, 3-(4-hydroxyphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.141244501 u
Formula C17H20O3
InChI InChI=1S/C17H20O3/c18-14-3-1-13(2-4-14)16-6-11-5-12(7-16)9-17(8-11,10-16)15(19)20/h1-4,11-12,18H,5-10H2,(H,19,20)/t11-,12+,16+,17-
InChIKey VOIFCTZBZXPLPQ-PRRDBKRISA-N
SMILES C1[C@@]2(C[C@]3(C[C@@](C2)(C[C@@]1(C3)[H])C(O)=O)C1=CC=C(C=C1)O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820945